SCHEMBL14028501

SCHEMBL14028501

CC(C)(C)N1CCC(n2c(=O)[nH]c3nnccc32)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 11/20 0.37
HSD11B1 P28845 1/20 0.36
TNKS O95271 2/20 0.36
TNKS2 Q9H2K2 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
OPRM1 P35372 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
DGAT1 O75907 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15935924 0.86 CYP2D6 (0.40) CALCRLTNKSCHRM2CHRM4CHRM1
SCHEMBL13351353 0.83 CALCRL (0.38) CALCRLCHRM2CHRM4CHRM1CHRM3
SCHEMBL12372810 0.82 OPRM1 (0.52) CALCRLTNKSTNKS2OPRM1OPRD1
SCHEMBL14046422 0.82 CYP2D6 (0.46) CALCRLCHRM1OPRM1CYP2D6CYP2C9
SCHEMBL13054218 0.81 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3OPRM1
SCHEMBL1196924 0.80 JAK2 (0.43) CALCRLTNKSTNKS2CHRM2CHRM4
SCHEMBL12372559 0.78 TNKS (0.51) HSD11B1TNKSTNKS2CHRM2CHRM4
SCHEMBL14028503 0.76 MAP3K11 (0.39) CALCRLTNKSTNKS2OPRM1OPRD1
SCHEMBL12372558 0.75 TNKS (0.51) CALCRLHSD11B1TNKSTNKS2CHRM2
SCHEMBL14028502 0.75 CALCRL (0.42) CALCRLHSD11B1TNKSTNKS2CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261972-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-10-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080261972-A1 Cgrp Receptor Antagonists BDKRB1, CALCRL, NPY1R CALCRL 2/4885HSD11B1 2112/4885TNKS 3019/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.